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CAS 96449-69-3 1-BENZYL-4-(HYDROXYMETHYL)PYRROLIDIN-2-ONE molecular structure lightbox
CAS RN: 96449-69-3

1-BENZYL-4-(HYDROXYMETHYL)PYRROLIDIN-2-ONE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250330 1g In stock Inquiry
Batchno.20260214 250mg In stock Inquiry
Batchno.20250919 50mg In stock Inquiry
  • Product code: SSC-212003
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 96449-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

96449-69-3 / 1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one

Standard CAS: 96449-69-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96449-69-3
Multi CAS
Yes
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
InChI
InChI=1S/C12H15NO2/c14-9-11-6-12(15)13(8-11)7-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKey
KJNWTBGLUKBKME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.05
TPSA
40.54

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.5
Consensus LogP
0.81
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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